This paper reviews atomistic force field parameterizations for molecular simulations of
cementitious minerals, such as tricalcium silicate (C 3 S), portlandite (CH), tobermorites …

This study focuses on one of the bottlenecks facing the concrete 3D printing technology, the
lack of proper bonding between the two adjacent layers of 3D printed concrete. Herein, a …

Boron nitride nanosheet (BNNS) is a good candidate for cement paste to improve the weak
interlayer bonding strength in three-dimensional (3D) concrete printing. In addition, the …

Cement-based materials in cold regions usually suffer deicer-frost deterioration. To better
understand the frozen behavior of the calcium silicate hydrate (CSH), molecular dynamics is …

Thermal conductivity of cement paste is significantly influenced by the presence of macro-
pores within it. These pores (pores with size greater than 6 μm, measured using microCT) …

Calcium silicate hydrate (CSH) is the main hydration product of cementitious materials, often
experiencing complex stress conditions in practical applications. Therefore, reactive …

Despite the advances in modeling component behavior, high-fidelity finite element
simulation remains challenging and is limited by the computational efficiency of large-scale …

3D printing of cementitious materials holds a great promise for construction due to its rapid,
consistent, modular, and geometry-controlled ability. However, its major drawback is low …

Molecular deformation response of tobermorite 11 Å (a mineral analogue to CSH, the
primary constituent of hydrated cement paste) under uni/tri-axial loading (both tension and …

The mechanical properties of calcium-silicate-hydrate (CSH) gels in cementitious materials
are mainly realized by nanoindentation experiments. There is limited research on the …